SCHEMBL8938039

SCHEMBL8938039

CC[C](c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CDC25B P30305 2/20 0.44
PTPN1 P18031 1/20 0.44
PLK1 P53350 1/20 0.44
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GMNN O75496 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
BLM P54132 2/20 0.42
PMP22 Q01453 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CMKLR1 Q99788 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3246864 0.88 NR4A1 (0.52) NR4A1NR4A2NR4A3MEN1KMT2A
SCHEMBL10925556 0.87 NR4A1 (0.48) NR4A1NR4A2NR4A3MEN1KMT2A
SCHEMBL5659885 0.83 ALDH1A1 (0.45) NR4A1NR4A2NR4A3MEN1KMT2A
SCHEMBL27665302 0.81 NR4A1 (0.50) NR4A1NR4A2NR4A3MEN1KMT2A
SCHEMBL5010784 0.79 TDP1 (0.56) NR4A1NR4A2NR4A3MEN1KMT2A
SCHEMBL5011022 0.79 MEN1 (0.50) NR4A1NR4A2NR4A3MEN1KMT2A
SCHEMBL4814494 0.76 NR4A1 (0.52) NR4A1NR4A2NR4A3MEN1KMT2A
SCHEMBL219736 0.75 ATM (0.54) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL4818412 0.75 NR4A1 (0.50) NR4A1NR4A2NR4A3MEN1KMT2A
SCHEMBL5012402 0.75 NR4A1 (0.55) NR4A1NR4A2NR4A3MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508273-A ARALKYLPHOSPHONATES FOR OSTEOPOROSIS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-04-16 US disclosed
EP-0061910-B1 NOVEL SUBSTITUTED IMIDAZOLES AND TRIAZOLES, FUNGICIDAL COMPOSITIONS CONTAINING THEM, THE USE THEREOF FOR COMBATING FUNGI AND PROCESSES FOR THE PREPARATION OF INTERMEDIATES FOR MAKING THE IMIDAZOLES AND TRIAZOLES ROHM AND HAAS COMPANY (US) 1986-08-27 EP disclosed
EP-0061910-A2 Novel substituted imidazoles and triazoles, fungicidal compositions containing them, the use thereof for combating fungi and processes for the preparation of intermediates for making the imidazoles and triazoles ROHM AND HAAS COMPANY (US) 1982-10-06 EP disclosed